[2-[4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]cyclopropyl]carbamic acid

C18H15F3N2O3 — CID 90214126

IUPAC[2-[4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]cyclopropyl]carbamic acid
SMILESO=C(O)NC1CC1c1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H15F3N2O3/c19-18(20,21)12-3-1-2-11(8-12)16(24)22-13-6-4-10(5-7-13)14-9-15(14)23-17(25)26/h1-8,14-15,23H,9H2,(H,22,24)(H,25,26)
InChIKeyPOAMYYHOSMLFCA-UHFFFAOYSA-N
MW364.32 g/mol
LogP4.08
Rot. Bonds4

About [2-[4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]cyclopropyl]carbamic acid

[2-[4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]cyclopropyl]carbamic acid (PubChem CID 90214126) has the molecular formula C18H15F3N2O3 and a molecular weight of 364.32 g/mol. Its IUPAC name is [2-[4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]cyclopropyl]carbamic acid.

Molecular Properties

Compound Name[2-[4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]cyclopropyl]carbamic acid
PubChem CID90214126
Molecular FormulaC18H15F3N2O3
Molecular Weight364.32 g/mol
Exact Mass364.10
IUPAC Name[2-[4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]cyclopropyl]carbamic acid
SMILESO=C(O)NC1CC1c1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H15F3N2O3/c19-18(20,21)12-3-1-2-11(8-12)16(24)22-13-6-4-10(5-7-13)14-9-15(14)23-17(25)26/h1-8,14-15,23H,9H2,(H,22,24)(H,25,26)
InChIKeyPOAMYYHOSMLFCA-UHFFFAOYSA-N
XLogP4.08
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2S)-2-[4-[(3-tert-butylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid
CID 90214249
[2-[4-[(3-methylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid
CID 90214092
N-[4-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]cyclopropyl]phenyl]-3-(trifluoromethyl)benzamide
CID 90214059
N-[4-[2-[(1-phenylpiperidin-4-yl)amino]cyclopropyl]phenyl]-3-(trifluoromethyl)benzamide;dihydrochloride
CID 90214387
N-[4-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)cyclopropyl]phenyl]-3-(trifluoromethyl)benzamide
CID 90214050
N-[4-(cyclopropanecarbonylamino)phenyl]-3-(trifluoromethyl)benzamide
CID 25275995
N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide
CID 2684380
N-(4-ethynylphenyl)-3-(trifluoromethyl)benzamide
CID 3751377
[2-[3-[(1-methylpyrazol-4-yl)carbamoyl]phenyl]cyclopropyl]carbamic acid
CID 118305020
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
6-methyl-2-oxo-N-[(1S,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]-1H-pyridine-3-carboxamide
CID 95977242
N-(3-bromo-4-fluorophenyl)-3-(trifluoromethyl)benzamide
CID 104779331

Frequently Asked Questions

What is the IUPAC name of [2-[4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]cyclopropyl]carbamic acid?
The IUPAC name of [2-[4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]cyclopropyl]carbamic acid (CID 90214126) is [2-[4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]cyclopropyl]carbamic acid.
What is the SMILES notation for [2-[4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]cyclopropyl]carbamic acid?
The canonical SMILES for [2-[4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]cyclopropyl]carbamic acid is O=C(O)NC1CC1c1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of [2-[4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]cyclopropyl]carbamic acid?
The InChIKey is POAMYYHOSMLFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O3/c19-18(20,21)12-3-1-2-11(8-12)16(24)22-13-6-4-10(5-7-13)14-9-15(14)23-17(25)26/h1-8,14-15,23H,9H2,(H,22,24)(H,25,26).
What are the key properties of [2-[4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]cyclopropyl]carbamic acid?
[2-[4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]cyclopropyl]carbamic acid has a molecular weight of 364.32 g/mol, XLogP of 4.08, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]cyclopropyl]carbamic acid is sourced from PubChem (CID 90214126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).